| # | Line 9 | Line 9 | initialConfig = "./ssd.in"; | |
|---|---|---|
| 9 | initialConfig = "./ssd.in"; | |
| 10 | ||
| 11 | ||
| 12 | < | ensemble = NVE; |
| 12 | > | ensemble = NVT; |
| 13 | forceField = "WATER"; | |
| 14 | useReactionField = "false"; | |
| 15 | dielectric = 80.0; | |
| # | Line 25 | Line 25 | dt = 1.0; | |
| 25 | tauBarostat = 1e4; | |
| 26 | ||
| 27 | dt = 1.0; | |
| 28 | < | runTime = 1e5; |
| 28 | > | runTime = 1e3; |
| 29 | ||
| 30 | sampleTime = 1e2; | |
| 31 | statusTime = 10; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |